4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide

C14H13N5 — CID 127044519

IUPAC4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N5/c15-13(16)9-5-7-10(8-6-9)17-14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H3,15,16)(H2,17,18,19)
InChIKeyVGSVGGDUPRAHPH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.59
Rot. Bonds3

About 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide

4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide (PubChem CID 127044519) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide
PubChem CID127044519
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N5/c15-13(16)9-5-7-10(8-6-9)17-14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H3,15,16)(H2,17,18,19)
InChIKeyVGSVGGDUPRAHPH-UHFFFAOYSA-N
XLogP2.59
TPSA90.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride
CID 127044317
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
2-(1H-benzimidazol-2-ylmethyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 153286784
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
1-[4-(1H-benzimidazol-2-ylamino)phenyl]-3-methylbutan-2-one
CID 59609955
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
3-[4-(1H-benzimidazol-2-ylamino)phenyl]propanoyl fluoride;bromomethane
CID 144543544

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide (CID 127044519) is 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide?
The InChIKey is VGSVGGDUPRAHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-13(16)9-5-7-10(8-6-9)17-14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H3,15,16)(H2,17,18,19).
What are the key properties of 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide?
4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide has a molecular weight of 251.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide is sourced from PubChem (CID 127044519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).